USER MOD reduce.3.24.130724 H: found=0, std=0, add=272, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 273 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 377 THR OG1 : rot -18:sc= 0.0437 USER MOD Set 1.2: A 380 SER OG : rot -23:sc= 0.164! USER MOD Single : A 382 ASN :FLIP amide:sc= -1.31 F(o=-4.9!,f=-1.3) USER MOD Single : A 383 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 384 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 386 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 387 ASN : amide:sc= -0.728 K(o=-0.73,f=-3!) USER MOD Single : A 390 LYS NZ :NH3+ -134:sc= -0.0168 (180deg=-0.23) USER MOD Single : A 391 SER OG : rot 180:sc= 0 USER MOD Single : A 394 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 396 HIS : no HD1:sc= -0.218 X(o=-0.22,f=-0.26) USER MOD Single : A 397 ASN : amide:sc= 0.351 K(o=0.35,f=-3.8!) USER MOD Single : A 401 ASN :FLIP amide:sc= -0.484 F(o=-3.2!,f=-0.48) USER MOD Single : A 402 LYS NZ :NH3+ 164:sc= -0.0669 (180deg=-0.376) USER MOD Single : A 403 LYS NZ :NH3+ 166:sc= -0.0346 (180deg=-0.248) USER MOD Single : A 405 THR OG1 : rot 22:sc= 0.166 USER MOD Single : A 408 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 412 LYS NZ :NH3+ 165:sc= -0.029 (180deg=-0.319) USER MOD ----------------------------------------------------------------- ATOM 339 N GLU A 376 -2.960 5.469 -3.048 1.00 0.00 N ATOM 340 CA GLU A 376 -3.666 5.189 -4.288 1.00 0.00 C ATOM 341 C GLU A 376 -4.585 6.350 -4.658 1.00 0.00 C ATOM 342 O GLU A 376 -4.299 7.507 -4.346 1.00 0.00 O ATOM 343 CB GLU A 376 -4.465 3.891 -4.137 1.00 0.00 C ATOM 344 CG GLU A 376 -3.625 2.715 -3.665 1.00 0.00 C ATOM 345 CD GLU A 376 -2.534 2.342 -4.652 1.00 0.00 C ATOM 346 OE1 GLU A 376 -2.869 2.008 -5.808 1.00 0.00 O ATOM 347 OE2 GLU A 376 -1.346 2.380 -4.268 1.00 0.00 O ATOM 0 HA GLU A 376 -2.941 5.069 -5.093 1.00 0.00 H new ATOM 0 HB2 GLU A 376 -5.278 4.054 -3.430 1.00 0.00 H new ATOM 0 HB3 GLU A 376 -4.921 3.641 -5.095 1.00 0.00 H new ATOM 0 HG2 GLU A 376 -3.172 2.960 -2.704 1.00 0.00 H new ATOM 0 HG3 GLU A 376 -4.272 1.853 -3.502 1.00 0.00 H new ATOM 354 N THR A 377 -5.687 6.033 -5.322 1.00 0.00 N ATOM 355 CA THR A 377 -6.655 7.033 -5.742 1.00 0.00 C ATOM 356 C THR A 377 -8.055 6.444 -5.722 1.00 0.00 C ATOM 357 O THR A 377 -8.227 5.241 -5.910 1.00 0.00 O ATOM 358 CB THR A 377 -6.344 7.561 -7.154 1.00 0.00 C ATOM 359 OG1 THR A 377 -6.369 6.484 -8.099 1.00 0.00 O ATOM 360 CG2 THR A 377 -4.982 8.238 -7.187 1.00 0.00 C ATOM 0 H THR A 377 -5.934 5.079 -5.584 1.00 0.00 H new ATOM 0 HA THR A 377 -6.594 7.866 -5.042 1.00 0.00 H new ATOM 0 HB THR A 377 -7.106 8.293 -7.420 1.00 0.00 H new ATOM 0 HG1 THR A 377 -6.288 5.630 -7.624 1.00 0.00 H new ATOM 0 HG21 THR A 377 -4.782 8.604 -8.194 1.00 0.00 H new ATOM 0 HG22 THR A 377 -4.975 9.075 -6.489 1.00 0.00 H new ATOM 0 HG23 THR A 377 -4.212 7.521 -6.902 1.00 0.00 H new ATOM 368 N GLU A 378 -9.052 7.288 -5.480 1.00 0.00 N ATOM 369 CA GLU A 378 -10.433 6.831 -5.424 1.00 0.00 C ATOM 370 C GLU A 378 -10.747 5.932 -6.613 1.00 0.00 C ATOM 371 O GLU A 378 -11.423 4.914 -6.477 1.00 0.00 O ATOM 372 CB GLU A 378 -11.392 8.020 -5.408 1.00 0.00 C ATOM 373 CG GLU A 378 -12.849 7.615 -5.256 1.00 0.00 C ATOM 374 CD GLU A 378 -13.787 8.806 -5.221 1.00 0.00 C ATOM 375 OE1 GLU A 378 -13.811 9.572 -6.206 1.00 0.00 O ATOM 376 OE2 GLU A 378 -14.497 8.973 -4.205 1.00 0.00 O ATOM 0 H GLU A 378 -8.929 8.288 -5.320 1.00 0.00 H new ATOM 0 HA GLU A 378 -10.563 6.260 -4.505 1.00 0.00 H new ATOM 0 HB2 GLU A 378 -11.120 8.686 -4.589 1.00 0.00 H new ATOM 0 HB3 GLU A 378 -11.274 8.586 -6.332 1.00 0.00 H new ATOM 0 HG2 GLU A 378 -13.128 6.962 -6.083 1.00 0.00 H new ATOM 0 HG3 GLU A 378 -12.968 7.037 -4.339 1.00 0.00 H new ATOM 383 N GLY A 379 -10.242 6.321 -7.776 1.00 0.00 N ATOM 384 CA GLY A 379 -10.467 5.549 -8.981 1.00 0.00 C ATOM 385 C GLY A 379 -9.834 4.172 -8.928 1.00 0.00 C ATOM 386 O GLY A 379 -10.455 3.187 -9.325 1.00 0.00 O ATOM 0 H GLY A 379 -9.678 7.161 -7.906 1.00 0.00 H new ATOM 0 HA2 GLY A 379 -11.540 5.444 -9.144 1.00 0.00 H new ATOM 0 HA3 GLY A 379 -10.067 6.094 -9.836 1.00 0.00 H new ATOM 390 N SER A 380 -8.597 4.100 -8.446 1.00 0.00 N ATOM 391 CA SER A 380 -7.890 2.823 -8.359 1.00 0.00 C ATOM 392 C SER A 380 -8.536 1.901 -7.328 1.00 0.00 C ATOM 393 O SER A 380 -8.751 0.719 -7.592 1.00 0.00 O ATOM 394 CB SER A 380 -6.416 3.047 -8.013 1.00 0.00 C ATOM 395 OG SER A 380 -6.274 3.660 -6.745 1.00 0.00 O ATOM 0 H SER A 380 -8.065 4.903 -8.111 1.00 0.00 H new ATOM 0 HA SER A 380 -7.955 2.341 -9.335 1.00 0.00 H new ATOM 0 HB2 SER A 380 -5.889 2.093 -8.019 1.00 0.00 H new ATOM 0 HB3 SER A 380 -5.952 3.672 -8.776 1.00 0.00 H new ATOM 0 HG SER A 380 -7.099 4.137 -6.518 1.00 0.00 H new ATOM 401 N CYS A 381 -8.837 2.450 -6.155 1.00 0.00 N ATOM 402 CA CYS A 381 -9.453 1.677 -5.078 1.00 0.00 C ATOM 403 C CYS A 381 -10.736 0.998 -5.543 1.00 0.00 C ATOM 404 O CYS A 381 -10.944 -0.190 -5.296 1.00 0.00 O ATOM 405 CB CYS A 381 -9.754 2.582 -3.884 1.00 0.00 C ATOM 406 SG CYS A 381 -8.275 3.268 -3.072 1.00 0.00 S ATOM 0 H CYS A 381 -8.665 3.429 -5.924 1.00 0.00 H new ATOM 0 HA CYS A 381 -8.746 0.903 -4.780 1.00 0.00 H new ATOM 0 HB2 CYS A 381 -10.386 3.405 -4.217 1.00 0.00 H new ATOM 0 HB3 CYS A 381 -10.328 2.016 -3.150 1.00 0.00 H new ATOM 411 N ASN A 382 -11.596 1.759 -6.214 1.00 0.00 N ATOM 412 CA ASN A 382 -12.860 1.229 -6.713 1.00 0.00 C ATOM 413 C ASN A 382 -12.624 -0.020 -7.554 1.00 0.00 C ATOM 414 O ASN A 382 -13.435 -0.945 -7.558 1.00 0.00 O ATOM 415 CB ASN A 382 -13.592 2.284 -7.549 1.00 0.00 C ATOM 416 CG ASN A 382 -13.935 3.538 -6.765 1.00 0.00 C ATOM 417 OD1 ASN A 382 -13.551 3.580 -5.492 1.00 0.00 O flip ATOM 418 ND2 ASN A 382 -14.541 4.467 -7.300 1.00 0.00 N flip ATOM 0 H ASN A 382 -11.440 2.745 -6.424 1.00 0.00 H new ATOM 0 HA ASN A 382 -13.478 0.965 -5.855 1.00 0.00 H new ATOM 0 HB2 ASN A 382 -12.971 2.556 -8.403 1.00 0.00 H new ATOM 0 HB3 ASN A 382 -14.509 1.850 -7.947 1.00 0.00 H new ATOM 0 HD21 ASN A 382 -14.819 4.398 -8.279 1.00 0.00 H new ATOM 0 HD22 ASN A 382 -14.765 5.306 -6.764 1.00 0.00 H new ATOM 425 N LYS A 383 -11.510 -0.026 -8.275 1.00 0.00 N ATOM 426 CA LYS A 383 -11.157 -1.144 -9.136 1.00 0.00 C ATOM 427 C LYS A 383 -10.649 -2.337 -8.331 1.00 0.00 C ATOM 428 O LYS A 383 -10.896 -3.488 -8.695 1.00 0.00 O ATOM 429 CB LYS A 383 -10.102 -0.707 -10.154 1.00 0.00 C ATOM 430 CG LYS A 383 -10.478 0.562 -10.909 1.00 0.00 C ATOM 431 CD LYS A 383 -11.813 0.421 -11.628 1.00 0.00 C ATOM 432 CE LYS A 383 -11.774 -0.678 -12.678 1.00 0.00 C ATOM 433 NZ LYS A 383 -13.076 -0.813 -13.388 1.00 0.00 N ATOM 0 H LYS A 383 -10.833 0.737 -8.279 1.00 0.00 H new ATOM 0 HA LYS A 383 -12.059 -1.459 -9.661 1.00 0.00 H new ATOM 0 HB2 LYS A 383 -9.155 -0.547 -9.639 1.00 0.00 H new ATOM 0 HB3 LYS A 383 -9.943 -1.513 -10.870 1.00 0.00 H new ATOM 0 HG2 LYS A 383 -10.528 1.398 -10.211 1.00 0.00 H new ATOM 0 HG3 LYS A 383 -9.699 0.798 -11.634 1.00 0.00 H new ATOM 0 HD2 LYS A 383 -12.596 0.203 -10.902 1.00 0.00 H new ATOM 0 HD3 LYS A 383 -12.073 1.368 -12.102 1.00 0.00 H new ATOM 0 HE2 LYS A 383 -10.987 -0.462 -13.401 1.00 0.00 H new ATOM 0 HE3 LYS A 383 -11.519 -1.625 -12.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 383 -13.009 -1.572 -14.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 383 -13.823 -1.044 -12.702 1.00 0.00 H new ATOM 0 HZ3 LYS A 383 -13.307 0.083 -13.863 1.00 0.00 H new ATOM 447 N LYS A 384 -9.918 -2.064 -7.249 1.00 0.00 N ATOM 448 CA LYS A 384 -9.358 -3.107 -6.416 1.00 0.00 C ATOM 449 C LYS A 384 -10.405 -4.098 -5.932 1.00 0.00 C ATOM 450 O LYS A 384 -11.586 -4.015 -6.268 1.00 0.00 O ATOM 451 CB LYS A 384 -8.670 -2.474 -5.215 1.00 0.00 C ATOM 452 CG LYS A 384 -7.690 -1.382 -5.592 1.00 0.00 C ATOM 453 CD LYS A 384 -6.598 -1.895 -6.513 1.00 0.00 C ATOM 454 CE LYS A 384 -6.977 -1.757 -7.980 1.00 0.00 C ATOM 455 NZ LYS A 384 -5.841 -2.095 -8.881 1.00 0.00 N ATOM 0 H LYS A 384 -9.704 -1.118 -6.935 1.00 0.00 H new ATOM 0 HA LYS A 384 -8.644 -3.662 -7.025 1.00 0.00 H new ATOM 0 HB2 LYS A 384 -9.426 -2.059 -4.549 1.00 0.00 H new ATOM 0 HB3 LYS A 384 -8.143 -3.248 -4.657 1.00 0.00 H new ATOM 0 HG2 LYS A 384 -8.224 -0.568 -6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 384 -7.240 -0.971 -4.689 1.00 0.00 H new ATOM 0 HD2 LYS A 384 -5.676 -1.345 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 384 -6.396 -2.942 -6.288 1.00 0.00 H new ATOM 0 HE2 LYS A 384 -7.821 -2.410 -8.200 1.00 0.00 H new ATOM 0 HE3 LYS A 384 -7.304 -0.736 -8.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 384 -6.140 -1.989 -9.871 1.00 0.00 H new ATOM 0 HZ2 LYS A 384 -5.044 -1.455 -8.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 384 -5.545 -3.078 -8.713 1.00 0.00 H new ATOM 469 N ASP A 385 -9.938 -5.020 -5.112 1.00 0.00 N ATOM 470 CA ASP A 385 -10.780 -6.047 -4.520 1.00 0.00 C ATOM 471 C ASP A 385 -10.442 -6.164 -3.043 1.00 0.00 C ATOM 472 O ASP A 385 -9.583 -5.436 -2.556 1.00 0.00 O ATOM 473 CB ASP A 385 -10.565 -7.388 -5.224 1.00 0.00 C ATOM 474 CG ASP A 385 -10.909 -7.329 -6.700 1.00 0.00 C ATOM 475 OD1 ASP A 385 -12.078 -7.032 -7.026 1.00 0.00 O ATOM 476 OD2 ASP A 385 -10.010 -7.581 -7.529 1.00 0.00 O ATOM 0 H ASP A 385 -8.958 -5.080 -4.835 1.00 0.00 H new ATOM 0 HA ASP A 385 -11.828 -5.772 -4.636 1.00 0.00 H new ATOM 0 HB2 ASP A 385 -9.525 -7.693 -5.108 1.00 0.00 H new ATOM 0 HB3 ASP A 385 -11.177 -8.150 -4.742 1.00 0.00 H new ATOM 481 N GLN A 386 -11.107 -7.062 -2.328 1.00 0.00 N ATOM 482 CA GLN A 386 -10.845 -7.226 -0.900 1.00 0.00 C ATOM 483 C GLN A 386 -9.343 -7.283 -0.629 1.00 0.00 C ATOM 484 O GLN A 386 -8.819 -6.524 0.187 1.00 0.00 O ATOM 485 CB GLN A 386 -11.523 -8.493 -0.374 1.00 0.00 C ATOM 486 CG GLN A 386 -11.405 -8.671 1.132 1.00 0.00 C ATOM 487 CD GLN A 386 -12.063 -9.947 1.622 1.00 0.00 C ATOM 488 OE1 GLN A 386 -11.685 -11.048 1.220 1.00 0.00 O ATOM 489 NE2 GLN A 386 -13.052 -9.804 2.496 1.00 0.00 N ATOM 0 H GLN A 386 -11.824 -7.682 -2.705 1.00 0.00 H new ATOM 0 HA GLN A 386 -11.259 -6.363 -0.377 1.00 0.00 H new ATOM 0 HB2 GLN A 386 -12.578 -8.469 -0.646 1.00 0.00 H new ATOM 0 HB3 GLN A 386 -11.086 -9.360 -0.869 1.00 0.00 H new ATOM 0 HG2 GLN A 386 -10.352 -8.679 1.412 1.00 0.00 H new ATOM 0 HG3 GLN A 386 -11.861 -7.816 1.632 1.00 0.00 H new ATOM 0 HE21 GLN A 386 -13.332 -8.872 2.801 1.00 0.00 H new ATOM 0 HE22 GLN A 386 -13.532 -10.626 2.862 1.00 0.00 H new ATOM 498 N ASN A 387 -8.656 -8.175 -1.330 1.00 0.00 N ATOM 499 CA ASN A 387 -7.215 -8.328 -1.178 1.00 0.00 C ATOM 500 C ASN A 387 -6.464 -7.101 -1.691 1.00 0.00 C ATOM 501 O ASN A 387 -5.441 -6.709 -1.127 1.00 0.00 O ATOM 502 CB ASN A 387 -6.741 -9.578 -1.924 1.00 0.00 C ATOM 503 CG ASN A 387 -5.231 -9.722 -1.923 1.00 0.00 C ATOM 504 OD1 ASN A 387 -4.514 -8.890 -2.477 1.00 0.00 O ATOM 505 ND2 ASN A 387 -4.739 -10.783 -1.301 1.00 0.00 N ATOM 0 H ASN A 387 -9.076 -8.806 -2.012 1.00 0.00 H new ATOM 0 HA ASN A 387 -7.000 -8.433 -0.115 1.00 0.00 H new ATOM 0 HB2 ASN A 387 -7.186 -10.461 -1.465 1.00 0.00 H new ATOM 0 HB3 ASN A 387 -7.098 -9.539 -2.953 1.00 0.00 H new ATOM 0 HD21 ASN A 387 -3.731 -10.933 -1.269 1.00 0.00 H new ATOM 0 HD22 ASN A 387 -5.368 -11.449 -0.854 1.00 0.00 H new ATOM 512 N GLU A 388 -6.963 -6.510 -2.771 1.00 0.00 N ATOM 513 CA GLU A 388 -6.323 -5.342 -3.366 1.00 0.00 C ATOM 514 C GLU A 388 -6.783 -4.050 -2.709 1.00 0.00 C ATOM 515 O GLU A 388 -6.313 -2.970 -3.066 1.00 0.00 O ATOM 516 CB GLU A 388 -6.591 -5.299 -4.869 1.00 0.00 C ATOM 517 CG GLU A 388 -6.101 -6.536 -5.604 1.00 0.00 C ATOM 518 CD GLU A 388 -6.290 -6.435 -7.105 1.00 0.00 C ATOM 519 OE1 GLU A 388 -7.449 -6.302 -7.549 1.00 0.00 O ATOM 520 OE2 GLU A 388 -5.278 -6.487 -7.837 1.00 0.00 O ATOM 0 H GLU A 388 -7.807 -6.820 -3.252 1.00 0.00 H new ATOM 0 HA GLU A 388 -5.250 -5.432 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 388 -7.662 -5.186 -5.037 1.00 0.00 H new ATOM 0 HB3 GLU A 388 -6.107 -4.418 -5.292 1.00 0.00 H new ATOM 0 HG2 GLU A 388 -5.045 -6.690 -5.384 1.00 0.00 H new ATOM 0 HG3 GLU A 388 -6.635 -7.410 -5.232 1.00 0.00 H new ATOM 527 N CYS A 389 -7.688 -4.154 -1.740 1.00 0.00 N ATOM 528 CA CYS A 389 -8.164 -2.968 -1.052 1.00 0.00 C ATOM 529 C CYS A 389 -7.012 -2.387 -0.245 1.00 0.00 C ATOM 530 O CYS A 389 -6.689 -2.873 0.839 1.00 0.00 O ATOM 531 CB CYS A 389 -9.357 -3.303 -0.155 1.00 0.00 C ATOM 532 SG CYS A 389 -10.437 -1.877 0.193 1.00 0.00 S ATOM 0 H CYS A 389 -8.098 -5.032 -1.421 1.00 0.00 H new ATOM 0 HA CYS A 389 -8.508 -2.230 -1.777 1.00 0.00 H new ATOM 0 HB2 CYS A 389 -9.947 -4.087 -0.629 1.00 0.00 H new ATOM 0 HB3 CYS A 389 -8.989 -3.707 0.788 1.00 0.00 H new ATOM 537 N LYS A 390 -6.367 -1.375 -0.811 1.00 0.00 N ATOM 538 CA LYS A 390 -5.206 -0.753 -0.179 1.00 0.00 C ATOM 539 C LYS A 390 -5.573 0.040 1.073 1.00 0.00 C ATOM 540 O LYS A 390 -6.737 0.374 1.297 1.00 0.00 O ATOM 541 CB LYS A 390 -4.486 0.132 -1.186 1.00 0.00 C ATOM 542 CG LYS A 390 -3.925 -0.646 -2.371 1.00 0.00 C ATOM 543 CD LYS A 390 -2.754 -1.524 -1.957 1.00 0.00 C ATOM 544 CE LYS A 390 -2.183 -2.287 -3.142 1.00 0.00 C ATOM 545 NZ LYS A 390 -3.198 -3.173 -3.775 1.00 0.00 N ATOM 0 H LYS A 390 -6.627 -0.965 -1.708 1.00 0.00 H new ATOM 0 HA LYS A 390 -4.540 -1.553 0.146 1.00 0.00 H new ATOM 0 HB2 LYS A 390 -5.176 0.892 -1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 390 -3.672 0.655 -0.684 1.00 0.00 H new ATOM 0 HG2 LYS A 390 -4.710 -1.265 -2.805 1.00 0.00 H new ATOM 0 HG3 LYS A 390 -3.603 0.050 -3.145 1.00 0.00 H new ATOM 0 HD2 LYS A 390 -1.975 -0.906 -1.511 1.00 0.00 H new ATOM 0 HD3 LYS A 390 -3.079 -2.229 -1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 390 -1.807 -1.580 -3.882 1.00 0.00 H new ATOM 0 HE3 LYS A 390 -1.334 -2.886 -2.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 390 -2.781 -4.110 -3.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 390 -4.017 -3.270 -3.142 1.00 0.00 H new ATOM 0 HZ3 LYS A 390 -3.505 -2.759 -4.678 1.00 0.00 H new ATOM 559 N SER A 391 -4.557 0.308 1.894 1.00 0.00 N ATOM 560 CA SER A 391 -4.728 1.029 3.146 1.00 0.00 C ATOM 561 C SER A 391 -5.558 2.301 2.972 1.00 0.00 C ATOM 562 O SER A 391 -6.571 2.469 3.651 1.00 0.00 O ATOM 563 CB SER A 391 -3.359 1.356 3.742 1.00 0.00 C ATOM 564 OG SER A 391 -2.630 0.172 4.019 1.00 0.00 O ATOM 0 H SER A 391 -3.594 0.029 1.706 1.00 0.00 H new ATOM 0 HA SER A 391 -5.279 0.384 3.831 1.00 0.00 H new ATOM 0 HB2 SER A 391 -2.796 1.980 3.048 1.00 0.00 H new ATOM 0 HB3 SER A 391 -3.486 1.932 4.658 1.00 0.00 H new ATOM 0 HG SER A 391 -1.757 0.406 4.398 1.00 0.00 H new ATOM 570 N PRO A 392 -5.171 3.216 2.057 1.00 0.00 N ATOM 571 CA PRO A 392 -5.925 4.444 1.824 1.00 0.00 C ATOM 572 C PRO A 392 -7.368 4.135 1.458 1.00 0.00 C ATOM 573 O PRO A 392 -8.293 4.843 1.855 1.00 0.00 O ATOM 574 CB PRO A 392 -5.183 5.074 0.642 1.00 0.00 C ATOM 575 CG PRO A 392 -3.812 4.565 0.765 1.00 0.00 C ATOM 576 CD PRO A 392 -3.999 3.144 1.163 1.00 0.00 C ATOM 0 HA PRO A 392 -5.978 5.093 2.698 1.00 0.00 H new ATOM 0 HB2 PRO A 392 -5.631 4.786 -0.309 1.00 0.00 H new ATOM 0 HB3 PRO A 392 -5.209 6.163 0.690 1.00 0.00 H new ATOM 0 HG2 PRO A 392 -3.267 4.649 -0.175 1.00 0.00 H new ATOM 0 HG3 PRO A 392 -3.244 5.119 1.513 1.00 0.00 H new ATOM 0 HD2 PRO A 392 -4.184 2.502 0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 392 -3.122 2.747 1.674 1.00 0.00 H new ATOM 584 N CYS A 393 -7.542 3.058 0.700 1.00 0.00 N ATOM 585 CA CYS A 393 -8.860 2.619 0.268 1.00 0.00 C ATOM 586 C CYS A 393 -9.713 2.210 1.463 1.00 0.00 C ATOM 587 O CYS A 393 -9.191 1.802 2.501 1.00 0.00 O ATOM 588 CB CYS A 393 -8.732 1.441 -0.695 1.00 0.00 C ATOM 589 SG CYS A 393 -7.527 1.693 -2.040 1.00 0.00 S ATOM 0 H CYS A 393 -6.777 2.469 0.370 1.00 0.00 H new ATOM 0 HA CYS A 393 -9.345 3.452 -0.240 1.00 0.00 H new ATOM 0 HB2 CYS A 393 -8.446 0.555 -0.129 1.00 0.00 H new ATOM 0 HB3 CYS A 393 -9.709 1.238 -1.133 1.00 0.00 H new ATOM 594 N LYS A 394 -11.025 2.313 1.304 1.00 0.00 N ATOM 595 CA LYS A 394 -11.956 1.945 2.363 1.00 0.00 C ATOM 596 C LYS A 394 -12.813 0.762 1.934 1.00 0.00 C ATOM 597 O LYS A 394 -13.550 0.835 0.945 1.00 0.00 O ATOM 598 CB LYS A 394 -12.848 3.133 2.731 1.00 0.00 C ATOM 599 CG LYS A 394 -13.808 2.848 3.876 1.00 0.00 C ATOM 600 CD LYS A 394 -13.068 2.589 5.181 1.00 0.00 C ATOM 601 CE LYS A 394 -12.287 3.814 5.633 1.00 0.00 C ATOM 602 NZ LYS A 394 -11.577 3.575 6.920 1.00 0.00 N ATOM 0 H LYS A 394 -11.470 2.649 0.450 1.00 0.00 H new ATOM 0 HA LYS A 394 -11.377 1.657 3.241 1.00 0.00 H new ATOM 0 HB2 LYS A 394 -12.217 3.980 3.001 1.00 0.00 H new ATOM 0 HB3 LYS A 394 -13.422 3.430 1.853 1.00 0.00 H new ATOM 0 HG2 LYS A 394 -14.484 3.694 4.003 1.00 0.00 H new ATOM 0 HG3 LYS A 394 -14.423 1.983 3.628 1.00 0.00 H new ATOM 0 HD2 LYS A 394 -13.781 2.305 5.955 1.00 0.00 H new ATOM 0 HD3 LYS A 394 -12.386 1.748 5.053 1.00 0.00 H new ATOM 0 HE2 LYS A 394 -11.564 4.088 4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 394 -12.968 4.658 5.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 394 -11.057 4.433 7.194 1.00 0.00 H new ATOM 0 HZ2 LYS A 394 -12.269 3.339 7.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 394 -10.909 2.786 6.807 1.00 0.00 H new ATOM 616 N TRP A 395 -12.700 -0.329 2.686 1.00 0.00 N ATOM 617 CA TRP A 395 -13.448 -1.543 2.399 1.00 0.00 C ATOM 618 C TRP A 395 -14.856 -1.478 2.982 1.00 0.00 C ATOM 619 O TRP A 395 -15.094 -0.817 3.993 1.00 0.00 O ATOM 620 CB TRP A 395 -12.721 -2.769 2.957 1.00 0.00 C ATOM 621 CG TRP A 395 -13.378 -4.061 2.582 1.00 0.00 C ATOM 622 CD1 TRP A 395 -13.950 -4.965 3.428 1.00 0.00 C ATOM 623 CD2 TRP A 395 -13.522 -4.597 1.263 1.00 0.00 C ATOM 624 NE1 TRP A 395 -14.454 -6.026 2.715 1.00 0.00 N ATOM 625 CE2 TRP A 395 -14.201 -5.826 1.384 1.00 0.00 C ATOM 626 CE3 TRP A 395 -13.148 -4.156 -0.009 1.00 0.00 C ATOM 627 CZ2 TRP A 395 -14.510 -6.615 0.280 1.00 0.00 C ATOM 628 CZ3 TRP A 395 -13.455 -4.942 -1.104 1.00 0.00 C ATOM 629 CH2 TRP A 395 -14.130 -6.159 -0.953 1.00 0.00 C ATOM 0 H TRP A 395 -12.093 -0.394 3.503 1.00 0.00 H new ATOM 0 HA TRP A 395 -13.524 -1.631 1.315 1.00 0.00 H new ATOM 0 HB2 TRP A 395 -11.693 -2.772 2.593 1.00 0.00 H new ATOM 0 HB3 TRP A 395 -12.675 -2.694 4.043 1.00 0.00 H new ATOM 0 HD1 TRP A 395 -14.000 -4.862 4.502 1.00 0.00 H new ATOM 0 HE1 TRP A 395 -14.938 -6.831 3.112 1.00 0.00 H new ATOM 0 HE3 TRP A 395 -12.628 -3.218 -0.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 395 -15.031 -7.554 0.392 1.00 0.00 H new ATOM 0 HZ3 TRP A 395 -13.169 -4.612 -2.092 1.00 0.00 H new ATOM 0 HH2 TRP A 395 -14.356 -6.750 -1.828 1.00 0.00 H new ATOM 640 N HIS A 396 -15.779 -2.185 2.340 1.00 0.00 N ATOM 641 CA HIS A 396 -17.164 -2.234 2.790 1.00 0.00 C ATOM 642 C HIS A 396 -17.751 -3.617 2.530 1.00 0.00 C ATOM 643 O HIS A 396 -17.949 -4.014 1.380 1.00 0.00 O ATOM 644 CB HIS A 396 -17.999 -1.171 2.073 1.00 0.00 C ATOM 645 CG HIS A 396 -17.577 0.234 2.368 1.00 0.00 C ATOM 646 ND1 HIS A 396 -17.619 0.785 3.632 1.00 0.00 N ATOM 647 CD2 HIS A 396 -17.104 1.206 1.552 1.00 0.00 C ATOM 648 CE1 HIS A 396 -17.192 2.033 3.580 1.00 0.00 C ATOM 649 NE2 HIS A 396 -16.872 2.312 2.329 1.00 0.00 N ATOM 0 H HIS A 396 -15.591 -2.735 1.502 1.00 0.00 H new ATOM 0 HA HIS A 396 -17.186 -2.032 3.861 1.00 0.00 H new ATOM 0 HB2 HIS A 396 -17.938 -1.340 0.998 1.00 0.00 H new ATOM 0 HB3 HIS A 396 -19.045 -1.293 2.356 1.00 0.00 H new ATOM 0 HD2 HIS A 396 -16.940 1.125 0.488 1.00 0.00 H new ATOM 0 HE1 HIS A 396 -17.117 2.711 4.418 1.00 0.00 H new ATOM 0 HE2 HIS A 396 -16.511 3.206 1.995 1.00 0.00 H new ATOM 658 N ASN A 397 -18.022 -4.347 3.608 1.00 0.00 N ATOM 659 CA ASN A 397 -18.580 -5.690 3.507 1.00 0.00 C ATOM 660 C ASN A 397 -20.069 -5.633 3.167 1.00 0.00 C ATOM 661 O ASN A 397 -20.806 -4.810 3.712 1.00 0.00 O ATOM 662 CB ASN A 397 -18.371 -6.451 4.817 1.00 0.00 C ATOM 663 CG ASN A 397 -16.924 -6.449 5.270 1.00 0.00 C ATOM 664 OD1 ASN A 397 -16.056 -7.016 4.611 1.00 0.00 O ATOM 665 ND2 ASN A 397 -16.658 -5.805 6.402 1.00 0.00 N ATOM 0 H ASN A 397 -17.863 -4.029 4.564 1.00 0.00 H new ATOM 0 HA ASN A 397 -18.061 -6.216 2.705 1.00 0.00 H new ATOM 0 HB2 ASN A 397 -18.991 -6.005 5.594 1.00 0.00 H new ATOM 0 HB3 ASN A 397 -18.707 -7.480 4.692 1.00 0.00 H new ATOM 0 HD21 ASN A 397 -15.702 -5.768 6.755 1.00 0.00 H new ATOM 0 HD22 ASN A 397 -17.410 -5.348 6.917 1.00 0.00 H new ATOM 672 N ASP A 398 -20.501 -6.511 2.265 1.00 0.00 N ATOM 673 CA ASP A 398 -21.901 -6.563 1.848 1.00 0.00 C ATOM 674 C ASP A 398 -22.369 -5.202 1.341 1.00 0.00 C ATOM 675 O ASP A 398 -23.525 -4.819 1.526 1.00 0.00 O ATOM 676 CB ASP A 398 -22.786 -7.021 3.011 1.00 0.00 C ATOM 677 CG ASP A 398 -22.422 -8.407 3.509 1.00 0.00 C ATOM 678 OD1 ASP A 398 -21.488 -9.017 2.946 1.00 0.00 O ATOM 679 OD2 ASP A 398 -23.072 -8.883 4.463 1.00 0.00 O ATOM 0 H ASP A 398 -19.901 -7.198 1.808 1.00 0.00 H new ATOM 0 HA ASP A 398 -21.985 -7.282 1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 398 -22.698 -6.309 3.832 1.00 0.00 H new ATOM 0 HB3 ASP A 398 -23.829 -7.015 2.694 1.00 0.00 H new ATOM 684 N ALA A 399 -21.457 -4.477 0.703 1.00 0.00 N ATOM 685 CA ALA A 399 -21.757 -3.155 0.165 1.00 0.00 C ATOM 686 C ALA A 399 -22.279 -3.240 -1.261 1.00 0.00 C ATOM 687 O ALA A 399 -21.732 -2.621 -2.172 1.00 0.00 O ATOM 688 CB ALA A 399 -20.521 -2.288 0.213 1.00 0.00 C ATOM 0 H ALA A 399 -20.498 -4.785 0.545 1.00 0.00 H new ATOM 0 HA ALA A 399 -22.538 -2.709 0.781 1.00 0.00 H new ATOM 0 HB1 ALA A 399 -20.752 -1.302 -0.190 1.00 0.00 H new ATOM 0 HB2 ALA A 399 -20.186 -2.188 1.246 1.00 0.00 H new ATOM 0 HB3 ALA A 399 -19.731 -2.747 -0.382 1.00 0.00 H new ATOM 694 N GLU A 400 -23.329 -4.020 -1.446 1.00 0.00 N ATOM 695 CA GLU A 400 -23.924 -4.205 -2.762 1.00 0.00 C ATOM 696 C GLU A 400 -22.924 -4.880 -3.688 1.00 0.00 C ATOM 697 O GLU A 400 -22.665 -4.396 -4.792 1.00 0.00 O ATOM 698 CB GLU A 400 -24.372 -2.865 -3.356 1.00 0.00 C ATOM 699 CG GLU A 400 -25.341 -2.096 -2.473 1.00 0.00 C ATOM 700 CD GLU A 400 -26.639 -2.843 -2.238 1.00 0.00 C ATOM 701 OE1 GLU A 400 -27.345 -3.133 -3.227 1.00 0.00 O ATOM 702 OE2 GLU A 400 -26.951 -3.137 -1.065 1.00 0.00 O ATOM 0 H GLU A 400 -23.791 -4.539 -0.699 1.00 0.00 H new ATOM 0 HA GLU A 400 -24.804 -4.839 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU A 400 -23.493 -2.247 -3.539 1.00 0.00 H new ATOM 0 HB3 GLU A 400 -24.841 -3.046 -4.323 1.00 0.00 H new ATOM 0 HG2 GLU A 400 -24.866 -1.890 -1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 400 -25.560 -1.133 -2.934 1.00 0.00 H new ATOM 709 N ASN A 401 -22.360 -5.993 -3.205 1.00 0.00 N ATOM 710 CA ASN A 401 -21.367 -6.781 -3.939 1.00 0.00 C ATOM 711 C ASN A 401 -19.955 -6.300 -3.626 1.00 0.00 C ATOM 712 O ASN A 401 -19.104 -6.213 -4.513 1.00 0.00 O ATOM 713 CB ASN A 401 -21.619 -6.741 -5.450 1.00 0.00 C ATOM 714 CG ASN A 401 -22.993 -7.262 -5.838 1.00 0.00 C ATOM 715 OD1 ASN A 401 -23.805 -7.619 -4.847 1.00 0.00 O flip ATOM 716 ND2 ASN A 401 -23.324 -7.339 -7.022 1.00 0.00 N flip ATOM 0 H ASN A 401 -22.583 -6.374 -2.286 1.00 0.00 H new ATOM 0 HA ASN A 401 -21.466 -7.816 -3.610 1.00 0.00 H new ATOM 0 HB2 ASN A 401 -21.513 -5.715 -5.803 1.00 0.00 H new ATOM 0 HB3 ASN A 401 -20.856 -7.333 -5.956 1.00 0.00 H new ATOM 0 HD21 ASN A 401 -22.672 -7.055 -7.753 1.00 0.00 H new ATOM 0 HD22 ASN A 401 -24.250 -7.687 -7.271 1.00 0.00 H new ATOM 723 N LYS A 402 -19.717 -6.006 -2.348 1.00 0.00 N ATOM 724 CA LYS A 402 -18.407 -5.550 -1.879 1.00 0.00 C ATOM 725 C LYS A 402 -18.024 -4.196 -2.475 1.00 0.00 C ATOM 726 O LYS A 402 -18.347 -3.895 -3.623 1.00 0.00 O ATOM 727 CB LYS A 402 -17.332 -6.585 -2.222 1.00 0.00 C ATOM 728 CG LYS A 402 -17.632 -7.978 -1.693 1.00 0.00 C ATOM 729 CD LYS A 402 -17.713 -7.998 -0.175 1.00 0.00 C ATOM 730 CE LYS A 402 -17.991 -9.398 0.348 1.00 0.00 C ATOM 731 NZ LYS A 402 -16.937 -10.365 -0.066 1.00 0.00 N ATOM 0 H LYS A 402 -20.421 -6.076 -1.613 1.00 0.00 H new ATOM 0 HA LYS A 402 -18.474 -5.433 -0.797 1.00 0.00 H new ATOM 0 HB2 LYS A 402 -17.220 -6.634 -3.305 1.00 0.00 H new ATOM 0 HB3 LYS A 402 -16.377 -6.251 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 402 -18.574 -8.331 -2.112 1.00 0.00 H new ATOM 0 HG3 LYS A 402 -16.856 -8.668 -2.025 1.00 0.00 H new ATOM 0 HD2 LYS A 402 -16.777 -7.630 0.246 1.00 0.00 H new ATOM 0 HD3 LYS A 402 -18.500 -7.321 0.158 1.00 0.00 H new ATOM 0 HE2 LYS A 402 -18.054 -9.373 1.436 1.00 0.00 H new ATOM 0 HE3 LYS A 402 -18.959 -9.737 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 402 -17.006 -11.224 0.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 402 -17.069 -10.614 -1.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 402 -16.000 -9.933 0.063 1.00 0.00 H new ATOM 745 N LYS A 403 -17.321 -3.386 -1.682 1.00 0.00 N ATOM 746 CA LYS A 403 -16.877 -2.065 -2.125 1.00 0.00 C ATOM 747 C LYS A 403 -15.554 -1.674 -1.471 1.00 0.00 C ATOM 748 O LYS A 403 -15.299 -1.999 -0.312 1.00 0.00 O ATOM 749 CB LYS A 403 -17.933 -1.000 -1.814 1.00 0.00 C ATOM 750 CG LYS A 403 -19.204 -1.136 -2.637 1.00 0.00 C ATOM 751 CD LYS A 403 -20.184 -0.009 -2.350 1.00 0.00 C ATOM 752 CE LYS A 403 -19.635 1.341 -2.789 1.00 0.00 C ATOM 753 NZ LYS A 403 -19.367 1.383 -4.254 1.00 0.00 N ATOM 0 H LYS A 403 -17.047 -3.623 -0.728 1.00 0.00 H new ATOM 0 HA LYS A 403 -16.731 -2.120 -3.204 1.00 0.00 H new ATOM 0 HB2 LYS A 403 -18.189 -1.054 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 403 -17.503 -0.014 -1.988 1.00 0.00 H new ATOM 0 HG2 LYS A 403 -18.952 -1.138 -3.698 1.00 0.00 H new ATOM 0 HG3 LYS A 403 -19.677 -2.094 -2.420 1.00 0.00 H new ATOM 0 HD2 LYS A 403 -21.124 -0.204 -2.866 1.00 0.00 H new ATOM 0 HD3 LYS A 403 -20.405 0.018 -1.283 1.00 0.00 H new ATOM 0 HE2 LYS A 403 -20.346 2.124 -2.528 1.00 0.00 H new ATOM 0 HE3 LYS A 403 -18.714 1.552 -2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 403 -19.224 2.369 -4.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 403 -18.512 0.830 -4.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 403 -20.177 0.980 -4.767 1.00 0.00 H new ATOM 767 N CYS A 404 -14.720 -0.966 -2.228 1.00 0.00 N ATOM 768 CA CYS A 404 -13.421 -0.512 -1.738 1.00 0.00 C ATOM 769 C CYS A 404 -13.138 0.902 -2.242 1.00 0.00 C ATOM 770 O CYS A 404 -12.252 1.113 -3.069 1.00 0.00 O ATOM 771 CB CYS A 404 -12.309 -1.466 -2.189 1.00 0.00 C ATOM 772 SG CYS A 404 -10.644 -0.981 -1.624 1.00 0.00 S ATOM 0 H CYS A 404 -14.922 -0.693 -3.190 1.00 0.00 H new ATOM 0 HA CYS A 404 -13.445 -0.504 -0.648 1.00 0.00 H new ATOM 0 HB2 CYS A 404 -12.530 -2.467 -1.819 1.00 0.00 H new ATOM 0 HB3 CYS A 404 -12.311 -1.521 -3.278 1.00 0.00 H new ATOM 777 N THR A 405 -13.910 1.863 -1.744 1.00 0.00 N ATOM 778 CA THR A 405 -13.757 3.260 -2.149 1.00 0.00 C ATOM 779 C THR A 405 -12.693 3.965 -1.322 1.00 0.00 C ATOM 780 O THR A 405 -12.677 3.853 -0.100 1.00 0.00 O ATOM 781 CB THR A 405 -15.081 4.034 -2.016 1.00 0.00 C ATOM 782 OG1 THR A 405 -15.536 3.997 -0.658 1.00 0.00 O ATOM 783 CG2 THR A 405 -16.147 3.449 -2.930 1.00 0.00 C ATOM 0 H THR A 405 -14.649 1.702 -1.059 1.00 0.00 H new ATOM 0 HA THR A 405 -13.451 3.247 -3.195 1.00 0.00 H new ATOM 0 HB THR A 405 -14.902 5.068 -2.311 1.00 0.00 H new ATOM 0 HG1 THR A 405 -14.779 3.810 -0.064 1.00 0.00 H new ATOM 0 HG21 THR A 405 -17.073 4.013 -2.817 1.00 0.00 H new ATOM 0 HG22 THR A 405 -15.810 3.507 -3.965 1.00 0.00 H new ATOM 0 HG23 THR A 405 -16.323 2.407 -2.663 1.00 0.00 H new ATOM 791 N LEU A 406 -11.810 4.698 -1.993 1.00 0.00 N ATOM 792 CA LEU A 406 -10.746 5.417 -1.305 1.00 0.00 C ATOM 793 C LEU A 406 -11.309 6.442 -0.331 1.00 0.00 C ATOM 794 O LEU A 406 -12.179 7.239 -0.680 1.00 0.00 O ATOM 795 CB LEU A 406 -9.832 6.129 -2.302 1.00 0.00 C ATOM 796 CG LEU A 406 -8.697 6.929 -1.663 1.00 0.00 C ATOM 797 CD1 LEU A 406 -7.642 5.998 -1.084 1.00 0.00 C ATOM 798 CD2 LEU A 406 -8.075 7.887 -2.662 1.00 0.00 C ATOM 0 H LEU A 406 -11.811 4.809 -3.007 1.00 0.00 H new ATOM 0 HA LEU A 406 -10.170 4.677 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 406 -9.402 5.387 -2.975 1.00 0.00 H new ATOM 0 HB3 LEU A 406 -10.435 6.802 -2.912 1.00 0.00 H new ATOM 0 HG LEU A 406 -9.119 7.518 -0.849 1.00 0.00 H new ATOM 0 HD11 LEU A 406 -6.843 6.588 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 406 -8.096 5.362 -0.324 1.00 0.00 H new ATOM 0 HD13 LEU A 406 -7.230 5.376 -1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 406 -7.271 8.443 -2.181 1.00 0.00 H new ATOM 0 HD22 LEU A 406 -7.673 7.324 -3.504 1.00 0.00 H new ATOM 0 HD23 LEU A 406 -8.834 8.583 -3.020 1.00 0.00 H new ATOM 810 N ASP A 407 -10.782 6.428 0.885 1.00 0.00 N ATOM 811 CA ASP A 407 -11.200 7.369 1.915 1.00 0.00 C ATOM 812 C ASP A 407 -10.258 8.567 1.920 1.00 0.00 C ATOM 813 O ASP A 407 -9.040 8.399 1.892 1.00 0.00 O ATOM 814 CB ASP A 407 -11.203 6.690 3.288 1.00 0.00 C ATOM 815 CG ASP A 407 -11.725 7.596 4.389 1.00 0.00 C ATOM 816 OD1 ASP A 407 -12.135 8.735 4.080 1.00 0.00 O ATOM 817 OD2 ASP A 407 -11.729 7.162 5.561 1.00 0.00 O ATOM 0 H ASP A 407 -10.060 5.772 1.184 1.00 0.00 H new ATOM 0 HA ASP A 407 -12.213 7.709 1.699 1.00 0.00 H new ATOM 0 HB2 ASP A 407 -11.816 5.790 3.242 1.00 0.00 H new ATOM 0 HB3 ASP A 407 -10.190 6.373 3.534 1.00 0.00 H new ATOM 822 N LYS A 408 -10.816 9.771 1.940 1.00 0.00 N ATOM 823 CA LYS A 408 -9.999 10.979 1.932 1.00 0.00 C ATOM 824 C LYS A 408 -9.168 11.090 3.208 1.00 0.00 C ATOM 825 O LYS A 408 -7.959 11.308 3.152 1.00 0.00 O ATOM 826 CB LYS A 408 -10.875 12.222 1.776 1.00 0.00 C ATOM 827 CG LYS A 408 -11.741 12.207 0.525 1.00 0.00 C ATOM 828 CD LYS A 408 -12.559 13.483 0.394 1.00 0.00 C ATOM 829 CE LYS A 408 -13.543 13.643 1.544 1.00 0.00 C ATOM 830 NZ LYS A 408 -14.352 14.887 1.416 1.00 0.00 N ATOM 0 H LYS A 408 -11.822 9.937 1.962 1.00 0.00 H new ATOM 0 HA LYS A 408 -9.321 10.913 1.081 1.00 0.00 H new ATOM 0 HB2 LYS A 408 -11.518 12.315 2.651 1.00 0.00 H new ATOM 0 HB3 LYS A 408 -10.237 13.105 1.755 1.00 0.00 H new ATOM 0 HG2 LYS A 408 -11.108 12.088 -0.355 1.00 0.00 H new ATOM 0 HG3 LYS A 408 -12.410 11.347 0.555 1.00 0.00 H new ATOM 0 HD2 LYS A 408 -11.890 14.343 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 408 -13.103 13.471 -0.551 1.00 0.00 H new ATOM 0 HE2 LYS A 408 -14.208 12.780 1.575 1.00 0.00 H new ATOM 0 HE3 LYS A 408 -12.998 13.660 2.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 408 -15.009 14.958 2.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 408 -13.720 15.713 1.412 1.00 0.00 H new ATOM 0 HZ3 LYS A 408 -14.892 14.860 0.528 1.00 0.00 H new ATOM 844 N GLU A 409 -9.823 10.940 4.354 1.00 0.00 N ATOM 845 CA GLU A 409 -9.145 11.026 5.642 1.00 0.00 C ATOM 846 C GLU A 409 -8.035 9.983 5.750 1.00 0.00 C ATOM 847 O GLU A 409 -6.951 10.266 6.261 1.00 0.00 O ATOM 848 CB GLU A 409 -10.153 10.837 6.777 1.00 0.00 C ATOM 849 CG GLU A 409 -9.534 10.925 8.161 1.00 0.00 C ATOM 850 CD GLU A 409 -10.548 10.728 9.272 1.00 0.00 C ATOM 851 OE1 GLU A 409 -11.740 10.519 8.960 1.00 0.00 O ATOM 852 OE2 GLU A 409 -10.149 10.782 10.454 1.00 0.00 O ATOM 0 H GLU A 409 -10.825 10.758 4.417 1.00 0.00 H new ATOM 0 HA GLU A 409 -8.692 12.014 5.723 1.00 0.00 H new ATOM 0 HB2 GLU A 409 -10.933 11.593 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 409 -10.636 9.866 6.665 1.00 0.00 H new ATOM 0 HG2 GLU A 409 -8.751 10.172 8.252 1.00 0.00 H new ATOM 0 HG3 GLU A 409 -9.057 11.898 8.279 1.00 0.00 H new ATOM 859 N GLU A 410 -8.315 8.778 5.269 1.00 0.00 N ATOM 860 CA GLU A 410 -7.345 7.688 5.314 1.00 0.00 C ATOM 861 C GLU A 410 -6.187 7.941 4.352 1.00 0.00 C ATOM 862 O GLU A 410 -5.022 7.799 4.722 1.00 0.00 O ATOM 863 CB GLU A 410 -8.023 6.359 4.973 1.00 0.00 C ATOM 864 CG GLU A 410 -7.096 5.156 5.071 1.00 0.00 C ATOM 865 CD GLU A 410 -6.587 4.913 6.480 1.00 0.00 C ATOM 866 OE1 GLU A 410 -6.999 5.652 7.400 1.00 0.00 O ATOM 867 OE2 GLU A 410 -5.780 3.978 6.666 1.00 0.00 O ATOM 0 H GLU A 410 -9.207 8.529 4.842 1.00 0.00 H new ATOM 0 HA GLU A 410 -6.945 7.638 6.327 1.00 0.00 H new ATOM 0 HB2 GLU A 410 -8.869 6.210 5.644 1.00 0.00 H new ATOM 0 HB3 GLU A 410 -8.425 6.415 3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 410 -7.624 4.268 4.723 1.00 0.00 H new ATOM 0 HG3 GLU A 410 -6.247 5.303 4.404 1.00 0.00 H new ATOM 874 N ALA A 411 -6.516 8.316 3.121 1.00 0.00 N ATOM 875 CA ALA A 411 -5.507 8.591 2.104 1.00 0.00 C ATOM 876 C ALA A 411 -4.532 9.656 2.579 1.00 0.00 C ATOM 877 O ALA A 411 -3.316 9.496 2.472 1.00 0.00 O ATOM 878 CB ALA A 411 -6.179 9.032 0.813 1.00 0.00 C ATOM 0 H ALA A 411 -7.477 8.437 2.802 1.00 0.00 H new ATOM 0 HA ALA A 411 -4.945 7.675 1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 411 -5.419 9.236 0.058 1.00 0.00 H new ATOM 0 HB2 ALA A 411 -6.840 8.241 0.458 1.00 0.00 H new ATOM 0 HB3 ALA A 411 -6.760 9.936 0.996 1.00 0.00 H new ATOM 884 N LYS A 412 -5.077 10.740 3.110 1.00 0.00 N ATOM 885 CA LYS A 412 -4.271 11.839 3.616 1.00 0.00 C ATOM 886 C LYS A 412 -3.356 11.359 4.737 1.00 0.00 C ATOM 887 O LYS A 412 -2.185 11.735 4.803 1.00 0.00 O ATOM 888 CB LYS A 412 -5.186 12.952 4.118 1.00 0.00 C ATOM 889 CG LYS A 412 -6.072 13.542 3.032 1.00 0.00 C ATOM 890 CD LYS A 412 -7.142 14.451 3.615 1.00 0.00 C ATOM 891 CE LYS A 412 -6.537 15.674 4.287 1.00 0.00 C ATOM 892 NZ LYS A 412 -5.741 16.491 3.331 1.00 0.00 N ATOM 0 H LYS A 412 -6.083 10.882 3.202 1.00 0.00 H new ATOM 0 HA LYS A 412 -3.647 12.223 2.809 1.00 0.00 H new ATOM 0 HB2 LYS A 412 -5.815 12.562 4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 412 -4.577 13.746 4.550 1.00 0.00 H new ATOM 0 HG2 LYS A 412 -5.459 14.105 2.328 1.00 0.00 H new ATOM 0 HG3 LYS A 412 -6.545 12.737 2.470 1.00 0.00 H new ATOM 0 HD2 LYS A 412 -7.820 14.769 2.823 1.00 0.00 H new ATOM 0 HD3 LYS A 412 -7.737 13.895 4.339 1.00 0.00 H new ATOM 0 HE2 LYS A 412 -7.332 16.285 4.714 1.00 0.00 H new ATOM 0 HE3 LYS A 412 -5.900 15.357 5.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 412 -5.559 17.428 3.743 1.00 0.00 H new ATOM 0 HZ2 LYS A 412 -4.836 16.016 3.138 1.00 0.00 H new ATOM 0 HZ3 LYS A 412 -6.271 16.600 2.443 1.00 0.00 H new